General Information of the Compound
| Compound ID |
CP0502663
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| Compound Name |
(4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C34H48N6O6
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| Molecular Weight |
636.794
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1
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| InChI |
InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
GTAGWCHGYVIGBT-NDEPHWFRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound